Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.72 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.72 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | THRB | P10828 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7323908 | 0.93 | ADORA2B (0.64) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| SCHEMBL7325375 | 0.93 | ADORA2B (0.66) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| SCHEMBL14564546 | 0.85 | ADORA2B (0.79) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| SCHEMBL14875118 | 0.85 | ADORA2B (0.77) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| Water SCHEMBL15690379 | 0.84 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| SCHEMBL1222380 | 0.84 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| SCHEMBL7318202 | 0.84 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| SCHEMBL1948455 | 0.84 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4ECYP1A2 | |
| SCHEMBL1943831 | 0.84 | ADORA2B (0.79) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL661108 | 0.84 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4ECYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0267607-B1 | 8-ARYLXANTHINES | MARION MERRELL DOW INC. (US) | 1991-11-27 | — | — | EP | disclosed |
| US-4783530-A | CARDIOTONIC AND BRONCHODILATOR AGENTS | MARION LABORATORIES, INC. (US) | 1988-11-08 | — | — | US | disclosed |
| EP-0267607-A1 | 8-Arylxanthines | MARION MERRELL DOW INC. (US) | 1988-05-18 | — | — | EP | disclosed |